Acetonitrile → (5-Ethylthiophen-3-yl)(9-(4-fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

HRID 2138298Notes

Reaction equation

HRID 2138298 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([F:12])[c:7]([CH2:9][CH2:10][OH:11])[cH:8]1.[CH2:20]([CH3:21])[c:22]1[cH:23][c:24]([C:27](=[O:28])[N:29]2[CH2:30][CH2:31][O:32][C:33]3([CH2:34]2)[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]3)[cH:25][s:26]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][C:48]#[N:49].[F:13][C:14]([F:15])([F:16])[C:17]([OH:18])=[O:19]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([F:12])[c:7]([CH2:9][CH2:10][OH:11])[cH:8]1)[N:37]1[CH2:36][CH2:35][C:33]2([O:32][CH2:31][CH2:30][N:29]([C:27]([c:24]3[cH:23][c:22]([CH2:20][CH3:21])[s:26][cH:25]3)=[O:28])[CH2:34]2)[CH2:39][CH2:38]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 579890232-(5-(Bromomethyl)-2-fluorophenyl)ethanolHCID 57989195(5-Ethylthiophen-3-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 57989276(5-Ethylthiophen-3-yl)(9-(4-fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Sources & evidence

ORD record
ord-7174594ff6e648c1a6562d933559d9dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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